N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide

C25H21N3O2 — CID 3821867

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-28-21-15-9-8-14-19(21)22(24(28)30)26-27-23(29)20-16-25(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,30H,16H2,1H3/b27-26+
InChIKeyJPANURIWFCKLEH-CYYJNZCTSA-N
MW395.46 g/mol
LogP5.50
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 3821867) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID3821867
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-28-21-15-9-8-14-19(21)22(24(28)30)26-27-23(29)20-16-25(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,30H,16H2,1H3/b27-26+
InChIKeyJPANURIWFCKLEH-CYYJNZCTSA-N
XLogP5.50
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
CID 3317811
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3769673
1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
N-(2-hydroxy-1-methylindol-3-yl)imino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135958305
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443504
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide (CID 3821867) is N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide is Cn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is JPANURIWFCKLEH-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-28-21-15-9-8-14-19(21)22(24(28)30)26-27-23(29)20-16-25(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,30H,16H2,1H3/b27-26+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3821867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).